[
  {
    "molid": "mol38319",
    "smiles": "O=C(O)CN1CCOCCN(CC(=O)O)CCOCC1",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])CN1CCOCC[NH+](CC(=O)[O-])CCOCC1",
        "std_free_energy": -12.975290298461914,
        "relative_population": 0.9995911413274698
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])CN1CCOCCN(CC(=O)[O-])CCOCC1",
        "std_free_energy": -4.252997398376465,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.5600004196167,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]